2-[2-[2-(trifluoromethoxy)phenyl]cyclobutyl]pyridine

C16H14F3NO — CID 173469072

IUPAC2-[2-[2-(trifluoromethoxy)phenyl]cyclobutyl]pyridine
SMILESFC(F)(F)Oc1ccccc1C1CCC1c1ccccn1
InChIInChI=1S/C16H14F3NO/c17-16(18,19)21-15-7-2-1-5-13(15)11-8-9-12(11)14-6-3-4-10-20-14/h1-7,10-12H,8-9H2
InChIKeyROHAIKMOUMJQDE-UHFFFAOYSA-N
MW293.29 g/mol
LogP4.64
Rot. Bonds3

About 2-[2-[2-(trifluoromethoxy)phenyl]cyclobutyl]pyridine

2-[2-[2-(trifluoromethoxy)phenyl]cyclobutyl]pyridine (PubChem CID 173469072) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-[2-[2-(trifluoromethoxy)phenyl]cyclobutyl]pyridine.

Molecular Properties

Compound Name2-[2-[2-(trifluoromethoxy)phenyl]cyclobutyl]pyridine
PubChem CID173469072
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name2-[2-[2-(trifluoromethoxy)phenyl]cyclobutyl]pyridine
SMILESFC(F)(F)Oc1ccccc1C1CCC1c1ccccn1
InChIInChI=1S/C16H14F3NO/c17-16(18,19)21-15-7-2-1-5-13(15)11-8-9-12(11)14-6-3-4-10-20-14/h1-7,10-12H,8-9H2
InChIKeyROHAIKMOUMJQDE-UHFFFAOYSA-N
XLogP4.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(trifluoromethoxy)phenyl]cyclobutyl]pyridine?
The IUPAC name of 2-[2-[2-(trifluoromethoxy)phenyl]cyclobutyl]pyridine (CID 173469072) is 2-[2-[2-(trifluoromethoxy)phenyl]cyclobutyl]pyridine.
What is the SMILES notation for 2-[2-[2-(trifluoromethoxy)phenyl]cyclobutyl]pyridine?
The canonical SMILES for 2-[2-[2-(trifluoromethoxy)phenyl]cyclobutyl]pyridine is FC(F)(F)Oc1ccccc1C1CCC1c1ccccn1.
What is the InChIKey of 2-[2-[2-(trifluoromethoxy)phenyl]cyclobutyl]pyridine?
The InChIKey is ROHAIKMOUMJQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c17-16(18,19)21-15-7-2-1-5-13(15)11-8-9-12(11)14-6-3-4-10-20-14/h1-7,10-12H,8-9H2.
What are the key properties of 2-[2-[2-(trifluoromethoxy)phenyl]cyclobutyl]pyridine?
2-[2-[2-(trifluoromethoxy)phenyl]cyclobutyl]pyridine has a molecular weight of 293.29 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(trifluoromethoxy)phenyl]cyclobutyl]pyridine is sourced from PubChem (CID 173469072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).